Heo TW - Search Results

1

Nanostructured Metal Hydrides for Hydrogen Storage.

Schneemann A, White JL, Kang S, Jeong S, Wan LF, Cho ES, Heo TW, Prendergast D, Urban JJ, Wood BC, Allendorf MD, Stavila V. Schneemann A, et al. Among authors: heo tw. Chem Rev. 2018 Nov 28;118(22):10775-10839. doi: 10.1021/acs.chemrev.8b00313. Epub 2018 Oct 2. Chem Rev. 2018. PMID: 30277071

2

Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins.

Ye J, Ong MT, Heo TW, Campbell PG, Worsley MA, Liu Y, Shin SJ, Charnvanichborikarn S, Matthews MJ, Bagge-Hansen M, Lee JR, Wood BC, Wang YM. Ye J, et al. Among authors: heo tw. Sci Rep. 2015 Nov 5;5:16190. doi: 10.1038/srep16190. Sci Rep. 2015. PMID: 26536830 Free PMC article.

3

Elucidating the mechanism of MgB₂ initial hydrogenation via a combined experimental-theoretical study.

Ray KG, Klebanoff LE, Lee JRI, Stavila V, Heo TW, Shea P, Baker AA, Kang S, Bagge-Hansen M, Liu YS, White JL, Wood BC. Ray KG, et al. Among authors: heo tw. Phys Chem Chem Phys. 2017 Aug 30;19(34):22646-22658. doi: 10.1039/c7cp03709k. Phys Chem Chem Phys. 2017. PMID: 28795705

4

An Analytical Bond Order Potential for Mg-H Systems.

Zhou X, Kang S, Heo TW, Wood BC, Stavila V, Allendorf MD. Zhou X, et al. Among authors: heo tw. Chemphyschem. 2019 May 16;20(10):1404-1411. doi: 10.1002/cphc.201800991. Epub 2019 Jan 31. Chemphyschem. 2019. PMID: 30644619

5

Morphology-Dependent Stability of Complex Metal Hydrides and Their Intermediates Using First-Principles Calculations.

Kang S, Heo TW, Allendorf MD, Wood BC. Kang S, et al. Among authors: heo tw. Chemphyschem. 2019 May 16;20(10):1340-1347. doi: 10.1002/cphc.201801132. Epub 2019 Mar 28. Chemphyschem. 2019. PMID: 30887700

6

On Thermodynamic and Kinetic Mechanisms for Stabilizing Surface Solid Solutions.

Heo TW, Wood BC. Heo TW, et al. ACS Appl Mater Interfaces. 2019 Dec 26;11(51):48487-48496. doi: 10.1021/acsami.9b14104. Epub 2019 Dec 11. ACS Appl Mater Interfaces. 2019. PMID: 31766847

7

A Mechanistic Analysis of Phase Evolution and Hydrogen Storage Behavior in Nanocrystalline Mg(BH₄)₂ within Reduced Graphene Oxide.

Jeong S, Heo TW, Oktawiec J, Shi R, Kang S, White JL, Schneemann A, Zaia EW, Wan LF, Ray KG, Liu YS, Stavila V, Guo J, Long JR, Wood BC, Urban JJ. Jeong S, et al. Among authors: heo tw. ACS Nano. 2020 Feb 25;14(2):1745-1756. doi: 10.1021/acsnano.9b07454. Epub 2020 Jan 17. ACS Nano. 2020. PMID: 31922396

8

Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields.

Goldman N, Kweon KE, Sadigh B, Heo TW, Lindsey RK, Pham CH, Fried LE, Aradi B, Holliday K, Jeffries JR, Wood BC. Goldman N, et al. Among authors: heo tw. J Chem Theory Comput. 2021 Jul 13;17(7):4435-4448. doi: 10.1021/acs.jctc.1c00172. Epub 2021 Jun 15. J Chem Theory Comput. 2021. PMID: 34128678

9

Understanding Hydrogenation Chemistry at MgB₂ Reactive Edges from Ab Initio Molecular Dynamics.

Ray KG, Klebanoff LE, Stavila V, Kang S, Wan LF, Li S, Heo TW, Allendorf MD, Lee JRI, Baker AA, Wood BC. Ray KG, et al. Among authors: heo tw. ACS Appl Mater Interfaces. 2022 May 11;14(18):20430-20442. doi: 10.1021/acsami.1c23524. Epub 2022 Mar 23. ACS Appl Mater Interfaces. 2022. PMID: 35319201 Review.

10

Quantifying disorder one atom at a time using an interpretable graph neural network paradigm.

Chapman J, Hsu T, Chen X, Heo TW, Wood BC. Chapman J, et al. Among authors: heo tw. Nat Commun. 2023 Jul 7;14(1):4030. doi: 10.1038/s41467-023-39755-0. Nat Commun. 2023. PMID: 37419927 Free PMC article.

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